N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline

C18H24N2 — CID 117041530

IUPACN-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1N(C)c1cccc(CN)c1
InChIInChI=1S/C18H24N2/c1-13(2)16-9-8-14(3)18(11-16)20(4)17-7-5-6-15(10-17)12-19/h5-11,13H,12,19H2,1-4H3
InChIKeyOEIBNNIBVPDQDB-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.35
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline

N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline (PubChem CID 117041530) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
PubChem CID117041530
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1N(C)c1cccc(CN)c1
InChIInChI=1S/C18H24N2/c1-13(2)16-9-8-14(3)18(11-16)20(4)17-7-5-6-15(10-17)12-19/h5-11,13H,12,19H2,1-4H3
InChIKeyOEIBNNIBVPDQDB-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
2-N,3-dimethyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126020
N-[3-(aminomethyl)phenyl]-N-methyl-6-propan-2-ylpyridazin-3-amine
CID 116973590
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline (CID 117041530) is N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline is Cc1ccc(C(C)C)cc1N(C)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline?
The InChIKey is OEIBNNIBVPDQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)16-9-8-14(3)18(11-16)20(4)17-7-5-6-15(10-17)12-19/h5-11,13H,12,19H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline?
N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline is sourced from PubChem (CID 117041530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).