N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine

C17H30N2 — CID 55070316

IUPACN-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-11-19(12-6-2)14-17-9-7-16(8-10-17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyNOIJAOQKBPYBER-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds9

About N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 55070316) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID55070316
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-11-19(12-6-2)14-17-9-7-16(8-10-17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyNOIJAOQKBPYBER-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine with MolForge

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 169214911
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-ethylpropan-1-amine
CID 102769494
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 169384974
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine (CID 55070316) is N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is NOIJAOQKBPYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-11-19(12-6-2)14-17-9-7-16(8-10-17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 55070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).