1-(4-tert-butylphenyl)-N-methylhexan-2-amine

C17H29N — CID 79405338

IUPAC1-(4-tert-butylphenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1ccc(C(C)(C)C)cc1)NC
InChIInChI=1S/C17H29N/c1-6-7-8-16(18-5)13-14-9-11-15(12-10-14)17(2,3)4/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyIXNOKEWZBBIYSC-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.30
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-methylhexan-2-amine

1-(4-tert-butylphenyl)-N-methylhexan-2-amine (PubChem CID 79405338) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methylhexan-2-amine
PubChem CID79405338
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(4-tert-butylphenyl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1ccc(C(C)(C)C)cc1)NC
InChIInChI=1S/C17H29N/c1-6-7-8-16(18-5)13-14-9-11-15(12-10-14)17(2,3)4/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyIXNOKEWZBBIYSC-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
CID 114209914

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methylhexan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methylhexan-2-amine (CID 79405338) is 1-(4-tert-butylphenyl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methylhexan-2-amine is CCCCC(Cc1ccc(C(C)(C)C)cc1)NC.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methylhexan-2-amine?
The InChIKey is IXNOKEWZBBIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-7-8-16(18-5)13-14-9-11-15(12-10-14)17(2,3)4/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methylhexan-2-amine?
1-(4-tert-butylphenyl)-N-methylhexan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.30, 6 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-methylhexan-2-amine is sourced from PubChem (CID 79405338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).