N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C18H25ClNOP — CID 57152666

IUPACN-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Cl)OCCc1cccc2ccccc12
InChIInChI=1S/C18H25ClNOP/c1-14(2)20(15(3)4)22(19)21-13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyKPVVUYMNDCSXPT-UHFFFAOYSA-N
MW337.83 g/mol
LogP5.98
Rot. Bonds7

About N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 57152666) has the molecular formula C18H25ClNOP and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID57152666
Molecular FormulaC18H25ClNOP
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC NameN-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Cl)OCCc1cccc2ccccc12
InChIInChI=1S/C18H25ClNOP/c1-14(2)20(15(3)4)22(19)21-13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyKPVVUYMNDCSXPT-UHFFFAOYSA-N
XLogP5.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.83
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-naphthalen-1-ylethyl acetate
CID 592920
1-(2-chloropropyl)naphthalene
CID 12809422
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
1-(4-methoxybutyl)naphthalene
CID 69278949
2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
CID 176778541
1-(3-chloropentyl)naphthalene
CID 63460195
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216

Frequently Asked Questions

What is the IUPAC name of N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 57152666) is N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(Cl)OCCc1cccc2ccccc12.
What is the InChIKey of N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KPVVUYMNDCSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClNOP/c1-14(2)20(15(3)4)22(19)21-13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 337.83 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(2-naphthalen-1-ylethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 57152666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).