1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine

C24H29N — CID 22011088

IUPAC1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
SMILESCC(NC(C)c1cccc2ccccc12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29N/c1-17(19-13-15-21(16-14-19)24(3,4)5)25-18(2)22-12-8-10-20-9-6-7-11-23(20)22/h6-18,25H,1-5H3
InChIKeyXGPJEQJXXRNTAL-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.55
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine

1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine (PubChem CID 22011088) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
PubChem CID22011088
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
SMILESCC(NC(C)c1cccc2ccccc12)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29N/c1-17(19-13-15-21(16-14-19)24(3,4)5)25-18(2)22-12-8-10-20-9-6-7-11-23(20)22/h6-18,25H,1-5H3
InChIKeyXGPJEQJXXRNTAL-UHFFFAOYSA-N
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
(1R)-1-(6-methylnaphthalen-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54273414
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
CID 102238248
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43731152
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine (CID 22011088) is 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine is CC(NC(C)c1cccc2ccccc12)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine?
The InChIKey is XGPJEQJXXRNTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-17(19-13-15-21(16-14-19)24(3,4)5)25-18(2)22-12-8-10-20-9-6-7-11-23(20)22/h6-18,25H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine?
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine has a molecular weight of 331.50 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine is sourced from PubChem (CID 22011088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).