1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol

C15H22ClNO — CID 62909882

IUPAC1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
SMILESCCCCN(c1ccc(C(C)O)cc1Cl)C1CC1
InChIInChI=1S/C15H22ClNO/c1-3-4-9-17(13-6-7-13)15-8-5-12(11(2)18)10-14(15)16/h5,8,10-11,13,18H,3-4,6-7,9H2,1-2H3
InChIKeyMODUZPDIJNXUCW-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.16
Rot. Bonds6

About 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol

1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol (PubChem CID 62909882) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
PubChem CID62909882
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
SMILESCCCCN(c1ccc(C(C)O)cc1Cl)C1CC1
InChIInChI=1S/C15H22ClNO/c1-3-4-9-17(13-6-7-13)15-8-5-12(11(2)18)10-14(15)16/h5,8,10-11,13,18H,3-4,6-7,9H2,1-2H3
InChIKeyMODUZPDIJNXUCW-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345
4-(bromomethyl)-N-butyl-2-chloro-N-cyclopropylaniline
CID 107081442
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol?
The IUPAC name of 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol (CID 62909882) is 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol.
What is the SMILES notation for 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol?
The canonical SMILES for 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol is CCCCN(c1ccc(C(C)O)cc1Cl)C1CC1.
What is the InChIKey of 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol?
The InChIKey is MODUZPDIJNXUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-4-9-17(13-6-7-13)15-8-5-12(11(2)18)10-14(15)16/h5,8,10-11,13,18H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol?
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol has a molecular weight of 267.80 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol is sourced from PubChem (CID 62909882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).