N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine

C15H26N2 — CID 62417579

IUPACN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCCCN(C)Cc1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2/c1-5-10-17(4)12-15-9-7-6-8-14(15)11-16-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyYVAWBVRKOCFUES-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds7

About N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine

N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62417579) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID62417579
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCCCN(C)Cc1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2/c1-5-10-17(4)12-15-9-7-6-8-14(15)11-16-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyYVAWBVRKOCFUES-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115464039
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine (CID 62417579) is N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine is CCCN(C)Cc1ccccc1CNC(C)C.
What is the InChIKey of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is YVAWBVRKOCFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-10-17(4)12-15-9-7-6-8-14(15)11-16-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine?
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).