1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine

C24H29N — CID 145488877

IUPAC1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
SMILESCCCNc1ccc2ccccc2c1C(C)(CC)Cc1ccccc1
InChIInChI=1S/C24H29N/c1-4-17-25-22-16-15-20-13-9-10-14-21(20)23(22)24(3,5-2)18-19-11-7-6-8-12-19/h6-16,25H,4-5,17-18H2,1-3H3
InChIKeyMSUXLNDYTKSLKM-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.57
Rot. Bonds7

About 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine

1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine (PubChem CID 145488877) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
PubChem CID145488877
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
SMILESCCCNc1ccc2ccccc2c1C(C)(CC)Cc1ccccc1
InChIInChI=1S/C24H29N/c1-4-17-25-22-16-15-20-13-9-10-14-21(20)23(22)24(3,5-2)18-19-11-7-6-8-12-19/h6-16,25H,4-5,17-18H2,1-3H3
InChIKeyMSUXLNDYTKSLKM-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
CID 143968265
1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
CID 145488822
N-methyl-1-[(E)-2-methyl-1,5-diphenylpent-4-en-2-yl]naphthalen-2-amine
CID 143655801
2-[4-[2-methyl-2-[2-(methylamino)naphthalen-1-yl]butyl]phenyl]benzonitrile
CID 145488850
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
CID 145488846
(2-ethyl-2-methylbutyl)benzene
CID 123641908
1-tert-butyl-2-methylnaphthalene
CID 3019593
azane;2,2-dimethylbutylbenzene
CID 175285583
N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
2-tert-butyl-N-propylaniline
CID 39238556
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine?
The IUPAC name of 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine (CID 145488877) is 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine?
The canonical SMILES for 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine is CCCNc1ccc2ccccc2c1C(C)(CC)Cc1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine?
The InChIKey is MSUXLNDYTKSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-4-17-25-22-16-15-20-13-9-10-14-21(20)23(22)24(3,5-2)18-19-11-7-6-8-12-19/h6-16,25H,4-5,17-18H2,1-3H3.
What are the key properties of 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine?
1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine has a molecular weight of 331.50 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine is sourced from PubChem (CID 145488877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).