N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

C19H28ClN — CID 63522034

IUPACN-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Cl)c2)CC2CCC1C2
InChIInChI=1S/C19H28ClN/c1-18(2,3)21-13-19(12-15-7-8-16(19)9-15)11-14-5-4-6-17(20)10-14/h4-6,10,15-16,21H,7-9,11-13H2,1-3H3
InChIKeyVGJRHSCRSPAVSX-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.08
Rot. Bonds4

About N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (PubChem CID 63522034) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
PubChem CID63522034
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC NameN-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Cl)c2)CC2CCC1C2
InChIInChI=1S/C19H28ClN/c1-18(2,3)21-13-19(12-15-7-8-16(19)9-15)11-14-5-4-6-17(20)10-14/h4-6,10,15-16,21H,7-9,11-13H2,1-3H3
InChIKeyVGJRHSCRSPAVSX-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63521834
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
2-methyl-N-[[2-[(2-methyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 107053119
2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63775207
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 103036761
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705987
2-(bromomethyl)-2-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66049067
N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 116523635

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (CID 63522034) is N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cccc(Cl)c2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VGJRHSCRSPAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-18(2,3)21-13-19(12-15-7-8-16(19)9-15)11-14-5-4-6-17(20)10-14/h4-6,10,15-16,21H,7-9,11-13H2,1-3H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.89 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63522034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).