(2S)-N-benzyl-1-methoxybutan-2-amine

C12H19NO — CID 95366266

IUPAC(2S)-N-benzyl-1-methoxybutan-2-amine
SMILESCC[C@@H](COC)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(10-14-2)13-9-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVPAFNAYCPSWYKZ-LBPRGKRZSA-N
MW193.29 g/mol
LogP2.20
Rot. Bonds6

About (2S)-N-benzyl-1-methoxybutan-2-amine

(2S)-N-benzyl-1-methoxybutan-2-amine (PubChem CID 95366266) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-N-benzyl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-1-methoxybutan-2-amine
PubChem CID95366266
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-N-benzyl-1-methoxybutan-2-amine
SMILESCC[C@@H](COC)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(10-14-2)13-9-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVPAFNAYCPSWYKZ-LBPRGKRZSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloro-1-methoxybutan-2-amine
CID 106152824
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
CID 106484043
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-methoxybutan-2-amine?
The IUPAC name of (2S)-N-benzyl-1-methoxybutan-2-amine (CID 95366266) is (2S)-N-benzyl-1-methoxybutan-2-amine.
What is the SMILES notation for (2S)-N-benzyl-1-methoxybutan-2-amine?
The canonical SMILES for (2S)-N-benzyl-1-methoxybutan-2-amine is CC[C@@H](COC)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-1-methoxybutan-2-amine?
The InChIKey is VPAFNAYCPSWYKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(10-14-2)13-9-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-methoxybutan-2-amine?
(2S)-N-benzyl-1-methoxybutan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-methoxybutan-2-amine is sourced from PubChem (CID 95366266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).