[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol

C16H26N2O2 — CID 79571282

IUPAC[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
SMILESCOc1ccccc1N(C)CCC1CCCC1(N)CO
InChIInChI=1S/C16H26N2O2/c1-18(14-7-3-4-8-15(14)20-2)11-9-13-6-5-10-16(13,17)12-19/h3-4,7-8,13,19H,5-6,9-12,17H2,1-2H3
InChIKeyHRHKULBXIGSCDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.01
Rot. Bonds6

About [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol (PubChem CID 79571282) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
PubChem CID79571282
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
SMILESCOc1ccccc1N(C)CCC1CCCC1(N)CO
InChIInChI=1S/C16H26N2O2/c1-18(14-7-3-4-8-15(14)20-2)11-9-13-6-5-10-16(13,17)12-19/h3-4,7-8,13,19H,5-6,9-12,17H2,1-2H3
InChIKeyHRHKULBXIGSCDL-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
CID 66472307
[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
CID 79581783
1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine
CID 79328519
5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856120
2-methoxy-N-methyl-N-propylaniline
CID 23198488
[1-amino-2-[2-(dibutylamino)ethyl]cyclopentyl]methanol
CID 79571226
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853246
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573813

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol (CID 79571282) is [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol is COc1ccccc1N(C)CCC1CCCC1(N)CO.
What is the InChIKey of [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol?
The InChIKey is HRHKULBXIGSCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(14-7-3-4-8-15(14)20-2)11-9-13-6-5-10-16(13,17)12-19/h3-4,7-8,13,19H,5-6,9-12,17H2,1-2H3.
What are the key properties of [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).