1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine

C17H22ClNO2 — CID 43100874

IUPAC1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-2-17(14-6-3-7-15(18)12-14)19-9-5-10-20-13-16-8-4-11-21-16/h3-4,6-8,11-12,17,19H,2,5,9-10,13H2,1H3
InChIKeyNMYWLTWMQGIHRB-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.58
Rot. Bonds9

About 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine

1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine (PubChem CID 43100874) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
PubChem CID43100874
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-2-17(14-6-3-7-15(18)12-14)19-9-5-10-20-13-16-8-4-11-21-16/h3-4,6-8,11-12,17,19H,2,5,9-10,13H2,1H3
InChIKeyNMYWLTWMQGIHRB-UHFFFAOYSA-N
XLogP4.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
3-(furan-2-ylmethoxy)-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363264
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43110405
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine (CID 43100874) is 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine is CCC(NCCCOCc1ccco1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The InChIKey is NMYWLTWMQGIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-2-17(14-6-3-7-15(18)12-14)19-9-5-10-20-13-16-8-4-11-21-16/h3-4,6-8,11-12,17,19H,2,5,9-10,13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine is sourced from PubChem (CID 43100874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).