1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine

C16H26N2O — CID 59347922

IUPAC1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
SMILESCOCCN(C)C1(C(N)c2ccccc2)CCCC1
InChIInChI=1S/C16H26N2O/c1-18(12-13-19-2)16(10-6-7-11-16)15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3
InChIKeyBRCUBKBCYHZRAF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds6

About 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine

1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine (PubChem CID 59347922) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
PubChem CID59347922
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
SMILESCOCCN(C)C1(C(N)c2ccccc2)CCCC1
InChIInChI=1S/C16H26N2O/c1-18(12-13-19-2)16(10-6-7-11-16)15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3
InChIKeyBRCUBKBCYHZRAF-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
3-methoxy-1-(1-phenylcyclopentyl)propan-1-amine
CID 114993811
[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
CID 106826782
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79067030
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
2-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54872258
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330

Frequently Asked Questions

What is the IUPAC name of 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine (CID 59347922) is 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine is COCCN(C)C1(C(N)c2ccccc2)CCCC1.
What is the InChIKey of 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine?
The InChIKey is BRCUBKBCYHZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(12-13-19-2)16(10-6-7-11-16)15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3.
What are the key properties of 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine?
1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(phenyl)methyl]-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 59347922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).