2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol

C19H25NO — CID 43085015

IUPAC2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
SMILESCc1cc(CNC(C)CCc2ccccc2)cc(C)c1O
InChIInChI=1S/C19H25NO/c1-14-11-18(12-15(2)19(14)21)13-20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-12,16,20-21H,9-10,13H2,1-3H3
InChIKeyBDNAXGSRECERQN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.12
Rot. Bonds6

About 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol

2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol (PubChem CID 43085015) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
PubChem CID43085015
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
SMILESCc1cc(CNC(C)CCc2ccccc2)cc(C)c1O
InChIInChI=1S/C19H25NO/c1-14-11-18(12-15(2)19(14)21)13-20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-12,16,20-21H,9-10,13H2,1-3H3
InChIKeyBDNAXGSRECERQN-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 113477091
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol (CID 43085015) is 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol is Cc1cc(CNC(C)CCc2ccccc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol?
The InChIKey is BDNAXGSRECERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-11-18(12-15(2)19(14)21)13-20-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-12,16,20-21H,9-10,13H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol?
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43085015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).