N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine

C16H28N2 — CID 138737865

IUPACN-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCN(C)Cc1ccc(CN(C)CCC)cc1
InChIInChI=1S/C16H28N2/c1-5-11-17(3)13-15-7-9-16(10-8-15)14-18(4)12-6-2/h7-10H,5-6,11-14H2,1-4H3
InChIKeyWSORUGIFEYACJB-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds8

About N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine

N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 138737865) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID138737865
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCN(C)Cc1ccc(CN(C)CCC)cc1
InChIInChI=1S/C16H28N2/c1-5-11-17(3)13-15-7-9-16(10-8-15)14-18(4)12-6-2/h7-10H,5-6,11-14H2,1-4H3
InChIKeyWSORUGIFEYACJB-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[[methyl(propyl)amino]methyl]benzenecarbothioamide
CID 43271278
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
CID 153390444
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 138737865) is N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCN(C)Cc1ccc(CN(C)CCC)cc1.
What is the InChIKey of N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is WSORUGIFEYACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-11-17(3)13-15-7-9-16(10-8-15)14-18(4)12-6-2/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 138737865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).