N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine

C19H22ClNO — CID 88690378

IUPACN-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCCl)c1ccccc1
InChIInChI=1S/C19H22ClNO/c20-15-7-13-17-9-5-4-8-16(17)12-6-14-19(21-22)18-10-2-1-3-11-18/h1-5,8-11,22H,6-7,12-15H2
InChIKeyCPNVTPFDEKRPCC-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.06
Rot. Bonds8

About N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine

N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine (PubChem CID 88690378) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine
PubChem CID88690378
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCCl)c1ccccc1
InChIInChI=1S/C19H22ClNO/c20-15-7-13-17-9-5-4-8-16(17)12-6-14-19(21-22)18-10-2-1-3-11-18/h1-5,8-11,22H,6-7,12-15H2
InChIKeyCPNVTPFDEKRPCC-UHFFFAOYSA-N
XLogP5.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690466
N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
CID 88690085
N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
CID 88690191
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
CID 88690472
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215
N-(1-phenylhex-5-ynylidene)hydroxylamine
CID 131845523

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine?
The IUPAC name of N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine (CID 88690378) is N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine.
What is the SMILES notation for N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine?
The canonical SMILES for N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine is ON=C(CCCc1ccccc1CCCCl)c1ccccc1.
What is the InChIKey of N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine?
The InChIKey is CPNVTPFDEKRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-15-7-13-17-9-5-4-8-16(17)12-6-14-19(21-22)18-10-2-1-3-11-18/h1-5,8-11,22H,6-7,12-15H2.
What are the key properties of N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine?
N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine has a molecular weight of 315.84 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine is sourced from PubChem (CID 88690378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).