N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine

C19H28ClN — CID 65002677

IUPACN-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(Cl)c2)CC2(CCCC2)C1
InChIInChI=1S/C19H28ClN/c1-17(2,3)21-14-19(15-7-6-8-16(20)11-15)12-18(13-19)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-14H2,1-3H3
InChIKeyJMDQMDLCAHDTFE-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.32
Rot. Bonds3

About N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65002677) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65002677
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC NameN-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(Cl)c2)CC2(CCCC2)C1
InChIInChI=1S/C19H28ClN/c1-17(2,3)21-14-19(15-7-6-8-16(20)11-15)12-18(13-19)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-14H2,1-3H3
InChIKeyJMDQMDLCAHDTFE-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 65008178
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine (CID 65002677) is N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2cccc(Cl)c2)CC2(CCCC2)C1.
What is the InChIKey of N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JMDQMDLCAHDTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-17(2,3)21-14-19(15-7-6-8-16(20)11-15)12-18(13-19)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.89 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65002677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).