3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline

C18H24N2 — CID 117029116

IUPAC3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
SMILESCN(c1ccc(C(C)(C)C)cc1)c1cccc(CN)c1
InChIInChI=1S/C18H24N2/c1-18(2,3)15-8-10-16(11-9-15)20(4)17-7-5-6-14(12-17)13-19/h5-12H,13,19H2,1-4H3
InChIKeyXMPWEMKCNOFQPV-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.21
Rot. Bonds3

About 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline

3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline (PubChem CID 117029116) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
PubChem CID117029116
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
SMILESCN(c1ccc(C(C)(C)C)cc1)c1cccc(CN)c1
InChIInChI=1S/C18H24N2/c1-18(2,3)15-8-10-16(11-9-15)20(4)17-7-5-6-14(12-17)13-19/h5-12H,13,19H2,1-4H3
InChIKeyXMPWEMKCNOFQPV-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
3-N-(4-tert-butylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117028859
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
CID 117041534
N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
CID 107874273

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline (CID 117029116) is 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline is CN(c1ccc(C(C)(C)C)cc1)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline?
The InChIKey is XMPWEMKCNOFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)15-8-10-16(11-9-15)20(4)17-7-5-6-14(12-17)13-19/h5-12H,13,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline?
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline is sourced from PubChem (CID 117029116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).