N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine

C14H24N2 — CID 62419099

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CC)c1
InChIInChI=1S/C14H24N2/c1-4-9-15-11-13-7-6-8-14(10-13)12-16(3)5-2/h6-8,10,15H,4-5,9,11-12H2,1-3H3
InChIKeyVBLNOECGEJKALZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds7

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 62419099) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID62419099
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CC)c1
InChIInChI=1S/C14H24N2/c1-4-9-15-11-13-7-6-8-14(10-13)12-16(3)5-2/h6-8,10,15H,4-5,9,11-12H2,1-3H3
InChIKeyVBLNOECGEJKALZ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
CID 55070121
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
CID 62423017
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
1-ethyl-2-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-propylguanidine
CID 111227213
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
3-(propylaminomethyl)phenol
CID 10725714
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 62419099) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1cccc(CN(C)CC)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is VBLNOECGEJKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-9-15-11-13-7-6-8-14(10-13)12-16(3)5-2/h6-8,10,15H,4-5,9,11-12H2,1-3H3.
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62419099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).