N-methoxy-1-phenylbutan-2-amine

C11H17NO — CID 82707148

IUPACN-methoxy-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NOC
InChIInChI=1S/C11H17NO/c1-3-11(12-13-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
InChIKeyCZMWKAHGJRBLPA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds5

About N-methoxy-1-phenylbutan-2-amine

N-methoxy-1-phenylbutan-2-amine (PubChem CID 82707148) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methoxy-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-methoxy-1-phenylbutan-2-amine
PubChem CID82707148
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methoxy-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NOC
InChIInChI=1S/C11H17NO/c1-3-11(12-13-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
InChIKeyCZMWKAHGJRBLPA-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
1-phenyl-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711434
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
CID 79008614
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-(1-phenylbutan-2-yl)acetamide
CID 2826983

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylbutan-2-amine?
The IUPAC name of N-methoxy-1-phenylbutan-2-amine (CID 82707148) is N-methoxy-1-phenylbutan-2-amine.
What is the SMILES notation for N-methoxy-1-phenylbutan-2-amine?
The canonical SMILES for N-methoxy-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NOC.
What is the InChIKey of N-methoxy-1-phenylbutan-2-amine?
The InChIKey is CZMWKAHGJRBLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(12-13-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3.
What are the key properties of N-methoxy-1-phenylbutan-2-amine?
N-methoxy-1-phenylbutan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylbutan-2-amine is sourced from PubChem (CID 82707148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).