4-methyl-1-phenylmethoxypentan-2-amine

C13H21NO — CID 13228785

IUPAC4-methyl-1-phenylmethoxypentan-2-amine
SMILESCC(C)CC(N)COCc1ccccc1
InChIInChI=1S/C13H21NO/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
InChIKeyFNMHWDNXJSSEQL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

About 4-methyl-1-phenylmethoxypentan-2-amine

4-methyl-1-phenylmethoxypentan-2-amine (PubChem CID 13228785) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-1-phenylmethoxypentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-phenylmethoxypentan-2-amine
PubChem CID13228785
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-methyl-1-phenylmethoxypentan-2-amine
SMILESCC(C)CC(N)COCc1ccccc1
InChIInChI=1S/C13H21NO/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
InChIKeyFNMHWDNXJSSEQL-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
(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
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylmethoxypentan-2-amine?
The IUPAC name of 4-methyl-1-phenylmethoxypentan-2-amine (CID 13228785) is 4-methyl-1-phenylmethoxypentan-2-amine.
What is the SMILES notation for 4-methyl-1-phenylmethoxypentan-2-amine?
The canonical SMILES for 4-methyl-1-phenylmethoxypentan-2-amine is CC(C)CC(N)COCc1ccccc1.
What is the InChIKey of 4-methyl-1-phenylmethoxypentan-2-amine?
The InChIKey is FNMHWDNXJSSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/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.
What are the key properties of 4-methyl-1-phenylmethoxypentan-2-amine?
4-methyl-1-phenylmethoxypentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylmethoxypentan-2-amine is sourced from PubChem (CID 13228785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).