(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

C19H25NO — CID 29186893

IUPAC(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO/c1-4-16(3)20-13-18-6-5-7-19(12-18)21-14-17-10-8-15(2)9-11-17/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m0/s1
InChIKeyNZIQEBQBGVXUIB-INIZCTEOSA-N
MW283.42 g/mol
LogP4.46
Rot. Bonds7

About (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 29186893) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID29186893
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO/c1-4-16(3)20-13-18-6-5-7-19(12-18)21-14-17-10-8-15(2)9-11-17/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m0/s1
InChIKeyNZIQEBQBGVXUIB-INIZCTEOSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (CID 29186893) is (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is CC[C@H](C)NCc1cccc(OCc2ccc(C)cc2)c1.
What is the InChIKey of (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is NZIQEBQBGVXUIB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16(3)20-13-18-6-5-7-19(12-18)21-14-17-10-8-15(2)9-11-17/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 29186893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).