N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline

C18H24N2 — CID 105347351

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2ccc(C(C)CN)cc2)c1
InChIInChI=1S/C18H24N2/c1-14-5-4-6-18(11-14)20(3)13-16-7-9-17(10-8-16)15(2)12-19/h4-11,15H,12-13,19H2,1-3H3
InChIKeyIGRDMOXJMHPIJR-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.69
Rot. Bonds5

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline (PubChem CID 105347351) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
PubChem CID105347351
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2ccc(C(C)CN)cc2)c1
InChIInChI=1S/C18H24N2/c1-14-5-4-6-18(11-14)20(3)13-16-7-9-17(10-8-16)15(2)12-19/h4-11,15H,12-13,19H2,1-3H3
InChIKeyIGRDMOXJMHPIJR-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
N-benzyl-N-methyl-3-propan-2-ylaniline
CID 178169457
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline (CID 105347351) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2ccc(C(C)CN)cc2)c1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline?
The InChIKey is IGRDMOXJMHPIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-5-4-6-18(11-14)20(3)13-16-7-9-17(10-8-16)15(2)12-19/h4-11,15H,12-13,19H2,1-3H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 105347351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).