4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine

C18H23NO — CID 82542750

IUPAC4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
SMILESCOc1ccc(-c2ccc(CC(C)CCN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(11-12-19)13-15-3-5-16(6-4-15)17-7-9-18(20-2)10-8-17/h3-10,14H,11-13,19H2,1-2H3
InChIKeyIDDYSWDMNVHQJK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine

4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine (PubChem CID 82542750) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
PubChem CID82542750
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
SMILESCOc1ccc(-c2ccc(CC(C)CCN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(11-12-19)13-15-3-5-16(6-4-15)17-7-9-18(20-2)10-8-17/h3-10,14H,11-13,19H2,1-2H3
InChIKeyIDDYSWDMNVHQJK-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine (CID 82542750) is 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine is COc1ccc(-c2ccc(CC(C)CCN)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine?
The InChIKey is IDDYSWDMNVHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(11-12-19)13-15-3-5-16(6-4-15)17-7-9-18(20-2)10-8-17/h3-10,14H,11-13,19H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine?
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82542750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).