N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine

C18H31NO — CID 43731289

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccc(CC(C)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-14(19-18(5,6)13-17(2,3)4)12-15-8-10-16(20-7)11-9-15/h8-11,14,19H,12-13H2,1-7H3
InChIKeyRQZPKEFKGMUHIA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43731289) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
PubChem CID43731289
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccc(CC(C)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-14(19-18(5,6)13-17(2,3)4)12-15-8-10-16(20-7)11-9-15/h8-11,14,19H,12-13H2,1-7H3
InChIKeyRQZPKEFKGMUHIA-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43788172
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859125
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045
N-[1-(4-methoxyphenyl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359265

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine (CID 43731289) is N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine is COc1ccc(CC(C)NC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is RQZPKEFKGMUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(19-18(5,6)13-17(2,3)4)12-15-8-10-16(20-7)11-9-15/h8-11,14,19H,12-13H2,1-7H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43731289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).