N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H29ClN2 — CID 43098153

IUPACN-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(NCCN(C(C)C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-6-17(15-8-7-9-16(18)12-15)19-10-11-20(13(2)3)14(4)5/h7-9,12-14,17,19H,6,10-11H2,1-5H3
InChIKeyRDHWUDLBMZDPRF-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.50
Rot. Bonds8

About N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43098153) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43098153
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(NCCN(C(C)C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-6-17(15-8-7-9-16(18)12-15)19-10-11-20(13(2)3)14(4)5/h7-9,12-14,17,19H,6,10-11H2,1-5H3
InChIKeyRDHWUDLBMZDPRF-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
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1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
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3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 63483276

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43098153) is N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCC(NCCN(C(C)C)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is RDHWUDLBMZDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-17(15-8-7-9-16(18)12-15)19-10-11-20(13(2)3)14(4)5/h7-9,12-14,17,19H,6,10-11H2,1-5H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43098153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).