N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine

C17H29N — CID 63496736

IUPACN-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(2)16-9-7-15(8-10-16)11-14(3)12-18-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyBJGLNVVIUZEEQZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds5

About N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine

N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 63496736) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID63496736
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(2)16-9-7-15(8-10-16)11-14(3)12-18-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyBJGLNVVIUZEEQZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81019029
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 83138672
N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 79018604
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
CID 63521505
N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
CID 81222174

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine (CID 63496736) is N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine is CC(CNC(C)(C)C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is BJGLNVVIUZEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)16-9-7-15(8-10-16)11-14(3)12-18-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine?
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 63496736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).