N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine

C17H30N2 — CID 105346832

IUPACN-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
SMILESCCCN(CC)Cc1ccc(C(C)CNCC)cc1
InChIInChI=1S/C17H30N2/c1-5-12-19(7-3)14-16-8-10-17(11-9-16)15(4)13-18-6-2/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyIBYIESBYJYNZDE-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.63
Rot. Bonds9

About N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine

N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine (PubChem CID 105346832) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
PubChem CID105346832
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
SMILESCCCN(CC)Cc1ccc(C(C)CNCC)cc1
InChIInChI=1S/C17H30N2/c1-5-12-19(7-3)14-16-8-10-17(11-9-16)15(4)13-18-6-2/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyIBYIESBYJYNZDE-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 105346933
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
3-[(4-butan-2-ylphenyl)methyl-propylamino]propanenitrile
CID 21044621
N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 782609
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine (CID 105346832) is N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine is CCCN(CC)Cc1ccc(C(C)CNCC)cc1.
What is the InChIKey of N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine?
The InChIKey is IBYIESBYJYNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-12-19(7-3)14-16-8-10-17(11-9-16)15(4)13-18-6-2/h8-11,15,18H,5-7,12-14H2,1-4H3.
What are the key properties of N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105346832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).