N-(3-methoxypropyl)-1-phenylbutan-2-amine

C14H23NO — CID 79007280

IUPACN-(3-methoxypropyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCCCOC
InChIInChI=1S/C14H23NO/c1-3-14(15-10-7-11-16-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyUKSAPNPXAWTRKI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About N-(3-methoxypropyl)-1-phenylbutan-2-amine

N-(3-methoxypropyl)-1-phenylbutan-2-amine (PubChem CID 79007280) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-phenylbutan-2-amine
PubChem CID79007280
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3-methoxypropyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCCCOC
InChIInChI=1S/C14H23NO/c1-3-14(15-10-7-11-16-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyUKSAPNPXAWTRKI-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
N-methoxy-1-phenylbutan-2-amine
CID 82707148
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-phenylbutan-2-amine (CID 79007280) is N-(3-methoxypropyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-1-phenylbutan-2-amine?
The InChIKey is UKSAPNPXAWTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-14(15-10-7-11-16-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-phenylbutan-2-amine?
N-(3-methoxypropyl)-1-phenylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).