(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine

C19H33NO2 — CID 170640480

IUPAC(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
SMILESCCCC(C)COc1ccc([C@@H](C(C)N)C(C)(C)OC)cc1
InChIInChI=1S/C19H33NO2/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6/h9-12,14-15,18H,7-8,13,20H2,1-6H3/t14?,15?,18-/m1/s1
InChIKeyIKHVPGKZHRNKRT-JTTJXQCZSA-N
MW307.48 g/mol
LogP4.36
Rot. Bonds9

About (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine

(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine (PubChem CID 170640480) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Name(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
PubChem CID170640480
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
SMILESCCCC(C)COc1ccc([C@@H](C(C)N)C(C)(C)OC)cc1
InChIInChI=1S/C19H33NO2/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6/h9-12,14-15,18H,7-8,13,20H2,1-6H3/t14?,15?,18-/m1/s1
InChIKeyIKHVPGKZHRNKRT-JTTJXQCZSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640479
(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
CID 170640517
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
CID 86658398
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 107886407
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
[2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086159
[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086154
[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl] N-tert-butylcarbamate
CID 170640575
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The IUPAC name of (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine (CID 170640480) is (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine.
What is the SMILES notation for (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The canonical SMILES for (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine is CCCC(C)COc1ccc([C@@H](C(C)N)C(C)(C)OC)cc1.
What is the InChIKey of (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
The InChIKey is IKHVPGKZHRNKRT-JTTJXQCZSA-N. The full InChI is InChI=1S/C19H33NO2/c1-7-8-14(2)13-22-17-11-9-16(10-12-17)18(15(3)20)19(4,5)21-6/h9-12,14-15,18H,7-8,13,20H2,1-6H3/t14?,15?,18-/m1/s1.
What are the key properties of (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine?
(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine has a molecular weight of 307.48 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 170640480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).