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

C18H24N2 — CID 105347405

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C18H24N2/c1-14-6-4-5-7-18(14)20(3)13-16-8-10-17(11-9-16)15(2)12-19/h4-11,15H,12-13,19H2,1-3H3
InChIKeyVUXBWMVVUWQIPL-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.69
Rot. Bonds5

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

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline (PubChem CID 105347405) 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,2-dimethylaniline.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
PubChem CID105347405
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)Cc1ccc(C(C)CN)cc1
InChIInChI=1S/C18H24N2/c1-14-6-4-5-7-18(14)20(3)13-16-8-10-17(11-9-16)15(2)12-19/h4-11,15H,12-13,19H2,1-3H3
InChIKeyVUXBWMVVUWQIPL-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]-N,3-dimethylaniline
CID 105347351
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
1-benzyl-2,2-dimethyl-1-(2-methylphenyl)hydrazine
CID 139743962

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline (CID 105347405) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline is Cc1ccccc1N(C)Cc1ccc(C(C)CN)cc1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline?
The InChIKey is VUXBWMVVUWQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-6-4-5-7-18(14)20(3)13-16-8-10-17(11-9-16)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,2-dimethylaniline?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-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,2-dimethylaniline is sourced from PubChem (CID 105347405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).