3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol

C11H17ClN2O — CID 65377403

IUPAC3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c12-10-4-1-3-9(7-10)11(8-13)14-5-2-6-15/h1,3-4,7,11,14-15H,2,5-6,8,13H2
InChIKeyNQZTYPSTHYUKRX-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.31
Rot. Bonds6

About 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol (PubChem CID 65377403) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
PubChem CID65377403
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c12-10-4-1-3-9(7-10)11(8-13)14-5-2-6-15/h1,3-4,7,11,14-15H,2,5-6,8,13H2
InChIKeyNQZTYPSTHYUKRX-UHFFFAOYSA-N
XLogP1.31
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
1-(3-chlorophenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643330
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
CID 115526912
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
CID 65377412
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol (CID 65377403) is 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1cccc(Cl)c1.
What is the InChIKey of 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is NQZTYPSTHYUKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c12-10-4-1-3-9(7-10)11(8-13)14-5-2-6-15/h1,3-4,7,11,14-15H,2,5-6,8,13H2.
What are the key properties of 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65377403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).