1-chloro-3-(4-heptylanilino)propan-2-ol

C16H26ClNO — CID 168640950

IUPAC1-chloro-3-(4-heptylanilino)propan-2-ol
SMILESCCCCCCCc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)18-13-16(19)12-17/h8-11,16,18-19H,2-7,12-13H2,1H3
InChIKeyOGGKOYGEAFLGFF-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.21
Rot. Bonds10

About 1-chloro-3-(4-heptylanilino)propan-2-ol

1-chloro-3-(4-heptylanilino)propan-2-ol (PubChem CID 168640950) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-chloro-3-(4-heptylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-heptylanilino)propan-2-ol
PubChem CID168640950
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-chloro-3-(4-heptylanilino)propan-2-ol
SMILESCCCCCCCc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)18-13-16(19)12-17/h8-11,16,18-19H,2-7,12-13H2,1H3
InChIKeyOGGKOYGEAFLGFF-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579
N-ethyl-4-nonylaniline
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1-chloro-3-[4-(2-pyridin-4-ylethyl)anilino]propan-2-ol
CID 168638130
4-(2-hydroxynonadecylamino)phenol
CID 162495059
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)tridecan-5-ol
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1-[(2R)-1-chloropropan-2-yl]-3-(4-heptylphenyl)urea
CID 12985368

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-heptylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-heptylanilino)propan-2-ol (CID 168640950) is 1-chloro-3-(4-heptylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-heptylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-heptylanilino)propan-2-ol is CCCCCCCc1ccc(NCC(O)CCl)cc1.
What is the InChIKey of 1-chloro-3-(4-heptylanilino)propan-2-ol?
The InChIKey is OGGKOYGEAFLGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)18-13-16(19)12-17/h8-11,16,18-19H,2-7,12-13H2,1H3.
What are the key properties of 1-chloro-3-(4-heptylanilino)propan-2-ol?
1-chloro-3-(4-heptylanilino)propan-2-ol has a molecular weight of 283.84 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-heptylanilino)propan-2-ol is sourced from PubChem (CID 168640950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).