N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C18H28ClN — CID 106869510

IUPACN-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(CC2(CNCC(C)C)CCCC2)c(Cl)c1
InChIInChI=1S/C18H28ClN/c1-14(2)12-20-13-18(8-4-5-9-18)11-16-7-6-15(3)10-17(16)19/h6-7,10,14,20H,4-5,8-9,11-13H2,1-3H3
InChIKeyPFXPKGXPVFBWEK-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.00
Rot. Bonds6

About N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 106869510) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID106869510
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(CC2(CNCC(C)C)CCCC2)c(Cl)c1
InChIInChI=1S/C18H28ClN/c1-14(2)12-20-13-18(8-4-5-9-18)11-16-7-6-15(3)10-17(16)19/h6-7,10,14,20H,4-5,8-9,11-13H2,1-3H3
InChIKeyPFXPKGXPVFBWEK-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-chloro-4-methylphenyl)methanamine
CID 106869882
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 106869510) is N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is Cc1ccc(CC2(CNCC(C)C)CCCC2)c(Cl)c1.
What is the InChIKey of N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PFXPKGXPVFBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-14(2)12-20-13-18(8-4-5-9-18)11-16-7-6-15(3)10-17(16)19/h6-7,10,14,20H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106869510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).