N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine

C18H32N2 — CID 105346572

IUPACN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-7-14-20(5)15-17-10-8-16(9-11-17)12-13-19-18(2,3)4/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyNFUSZUOAHRANPU-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds8

About N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine (PubChem CID 105346572) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
PubChem CID105346572
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-7-14-20(5)15-17-10-8-16(9-11-17)12-13-19-18(2,3)4/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyNFUSZUOAHRANPU-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine (CID 105346572) is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The InChIKey is NFUSZUOAHRANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-14-20(5)15-17-10-8-16(9-11-17)12-13-19-18(2,3)4/h8-11,19H,6-7,12-15H2,1-5H3.
What are the key properties of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 105346572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).