(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine

C14H23NO — CID 35753835

IUPAC(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
SMILESCc1ccc(COC[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-14(15)10-16-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3/t14-/m0/s1
InChIKeyZXIIUERZWARPLX-AWEZNQCLSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds6

About (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine

(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine (PubChem CID 35753835) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
PubChem CID35753835
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
SMILESCc1ccc(COC[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-14(15)10-16-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3/t14-/m0/s1
InChIKeyZXIIUERZWARPLX-AWEZNQCLSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
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-phenylmethoxypentan-2-amine;sulfane
CID 158419681
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
CID 143482271
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene
CID 58376673
ethyl 4-(2-aminobutoxymethyl)benzoate
CID 82352941
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-(ethoxymethyl)-4-methylbenzene
CID 12727419

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine (CID 35753835) is (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine is Cc1ccc(COC[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine?
The InChIKey is ZXIIUERZWARPLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)8-14(15)10-16-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine?
(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.89, 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-[(4-methylphenyl)methoxy]pentan-2-amine is sourced from PubChem (CID 35753835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).