N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine

C17H29N — CID 64716808

IUPACN-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-7-18-14(4)12-17(5,6)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyLADXYRUKYZGMPW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.48
Rot. Bonds6

About N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine

N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine (PubChem CID 64716808) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
PubChem CID64716808
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-7-18-14(4)12-17(5,6)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyLADXYRUKYZGMPW-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 64716592
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine (CID 64716808) is N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine is CCNC(C)CC(C)(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine?
The InChIKey is LADXYRUKYZGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-18-14(4)12-17(5,6)16-10-8-15(9-11-16)13(2)3/h8-11,13-14,18H,7,12H2,1-6H3.
What are the key properties of N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine?
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine is sourced from PubChem (CID 64716808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).