(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane

C13H23NOS — CID 158419681

IUPAC(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
SMILESCC(C)C[C@H](N)COCc1ccccc1.S
InChIInChI=1S/C13H21NO.H2S/c1-11(2)8-13(14)10-15-9-12-6-4-3-5-7-12;/h3-7,11,13H,8-10,14H2,1-2H3;1H2/t13-;/m0./s1
InChIKeyHAIKEIXPFJDOBA-ZOWNYOTGSA-N
MW241.40 g/mol
LogP2.69
Rot. Bonds6

About (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane

(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane (PubChem CID 158419681) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane.

Molecular Properties

Compound Name(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
PubChem CID158419681
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
SMILESCC(C)C[C@H](N)COCc1ccccc1.S
InChIInChI=1S/C13H21NO.H2S/c1-11(2)8-13(14)10-15-9-12-6-4-3-5-7-12;/h3-7,11,13H,8-10,14H2,1-2H3;1H2/t13-;/m0./s1
InChIKeyHAIKEIXPFJDOBA-ZOWNYOTGSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
CID 35753835
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
CID 168776237
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane?
The IUPAC name of (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane (CID 158419681) is (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane.
What is the SMILES notation for (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane?
The canonical SMILES for (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane is CC(C)C[C@H](N)COCc1ccccc1.S.
What is the InChIKey of (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane?
The InChIKey is HAIKEIXPFJDOBA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H21NO.H2S/c1-11(2)8-13(14)10-15-9-12-6-4-3-5-7-12;/h3-7,11,13H,8-10,14H2,1-2H3;1H2/t13-;/m0./s1.
What are the key properties of (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane?
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane has a molecular weight of 241.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane is sourced from PubChem (CID 158419681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).