(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine

C13H21NO — CID 97357815

IUPAC(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
SMILESCC[C@@H](Cc1ccccc1)NCCOC
InChIInChI=1S/C13H21NO/c1-3-13(14-9-10-15-2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-/m0/s1
InChIKeyXZFRLMMHGZSCFN-ZDUSSCGKSA-N
MW207.32 g/mol
LogP2.24
Rot. Bonds7

About (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine

(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine (PubChem CID 97357815) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
PubChem CID97357815
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
SMILESCC[C@@H](Cc1ccccc1)NCCOC
InChIInChI=1S/C13H21NO/c1-3-13(14-9-10-15-2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-/m0/s1
InChIKeyXZFRLMMHGZSCFN-ZDUSSCGKSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.24
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-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
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-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine (CID 97357815) is (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine is CC[C@@H](Cc1ccccc1)NCCOC.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine?
The InChIKey is XZFRLMMHGZSCFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-13(14-9-10-15-2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine?
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 97357815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).