4-[3-(5-amino-3-methylpentyl)phenyl]phenol

C18H23NO — CID 82542822

IUPAC4-[3-(5-amino-3-methylpentyl)phenyl]phenol
SMILESCC(CCN)CCc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C18H23NO/c1-14(11-12-19)5-6-15-3-2-4-17(13-15)16-7-9-18(20)10-8-16/h2-4,7-10,13-14,20H,5-6,11-12,19H2,1H3
InChIKeyMSHGVOPKDNYZHX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds6

About 4-[3-(5-amino-3-methylpentyl)phenyl]phenol

4-[3-(5-amino-3-methylpentyl)phenyl]phenol (PubChem CID 82542822) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[3-(5-amino-3-methylpentyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-(5-amino-3-methylpentyl)phenyl]phenol
PubChem CID82542822
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[3-(5-amino-3-methylpentyl)phenyl]phenol
SMILESCC(CCN)CCc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C18H23NO/c1-14(11-12-19)5-6-15-3-2-4-17(13-15)16-7-9-18(20)10-8-16/h2-4,7-10,13-14,20H,5-6,11-12,19H2,1H3
InChIKeyMSHGVOPKDNYZHX-UHFFFAOYSA-N
XLogP3.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542777
4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol
CID 135182549
5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776
3-[4-(5-amino-3-methylpentyl)phenyl]benzoic acid
CID 82542544
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
4-(3-benzylphenyl)phenol
CID 101277658
3-[4-(4-amino-2-methylbutyl)phenyl]benzoic acid
CID 82542556
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-amino-3-methylpentyl)phenyl]phenol?
The IUPAC name of 4-[3-(5-amino-3-methylpentyl)phenyl]phenol (CID 82542822) is 4-[3-(5-amino-3-methylpentyl)phenyl]phenol.
What is the SMILES notation for 4-[3-(5-amino-3-methylpentyl)phenyl]phenol?
The canonical SMILES for 4-[3-(5-amino-3-methylpentyl)phenyl]phenol is CC(CCN)CCc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[3-(5-amino-3-methylpentyl)phenyl]phenol?
The InChIKey is MSHGVOPKDNYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(11-12-19)5-6-15-3-2-4-17(13-15)16-7-9-18(20)10-8-16/h2-4,7-10,13-14,20H,5-6,11-12,19H2,1H3.
What are the key properties of 4-[3-(5-amino-3-methylpentyl)phenyl]phenol?
4-[3-(5-amino-3-methylpentyl)phenyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-amino-3-methylpentyl)phenyl]phenol is sourced from PubChem (CID 82542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).