1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol

C17H28N2O2 — CID 114948138

IUPAC1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccccc1C(C(C)N)N(C)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-13(18)16(14-8-4-5-9-15(14)21-3)19(2)12-17(20)10-6-7-11-17/h4-5,8-9,13,16,20H,6-7,10-12,18H2,1-3H3
InChIKeyPPWMZPJFWSIMLE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds6

About 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948138) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948138
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccccc1C(C(C)N)N(C)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-13(18)16(14-8-4-5-9-15(14)21-3)19(2)12-17(20)10-6-7-11-17/h4-5,8-9,13,16,20H,6-7,10-12,18H2,1-3H3
InChIKeyPPWMZPJFWSIMLE-UHFFFAOYSA-N
XLogP2.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-amino-1-(furan-2-yl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947988
1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55021597
3-[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]propanenitrile
CID 55022271
1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950299
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114948545
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol (CID 114948138) is 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol is COc1ccccc1C(C(C)N)N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PPWMZPJFWSIMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(18)16(14-8-4-5-9-15(14)21-3)19(2)12-17(20)10-6-7-11-17/h4-5,8-9,13,16,20H,6-7,10-12,18H2,1-3H3.
What are the key properties of 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).