N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine

C16H25NO — CID 62571201

IUPACN-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCCNCC2CCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-7-8-16(11-14(13)2)18-10-9-17-12-15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12H2,1-2H3
InChIKeyKGUOJLQBZVOIQR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine

N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine (PubChem CID 62571201) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
PubChem CID62571201
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCCNCC2CCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-7-8-16(11-14(13)2)18-10-9-17-12-15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12H2,1-2H3
InChIKeyKGUOJLQBZVOIQR-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865858
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine (CID 62571201) is N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine is Cc1ccc(OCCNCC2CCCC2)cc1C.
What is the InChIKey of N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine?
The InChIKey is KGUOJLQBZVOIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-7-8-16(11-14(13)2)18-10-9-17-12-15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine?
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine is sourced from PubChem (CID 62571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).