N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride

C14H24ClNO — CID 17207061

IUPACN-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCCc1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-13(2)16-12-6-10-15-11-9-14-7-4-3-5-8-14;/h3-5,7-8,13,15H,6,9-12H2,1-2H3;1H
InChIKeyCFZPXNGDXGXAOR-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.06
Rot. Bonds8

About N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride

N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 17207061) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID17207061
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC NameN-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCCc1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-13(2)16-12-6-10-15-11-9-14-7-4-3-5-8-14;/h3-5,7-8,13,15H,6,9-12H2,1-2H3;1H
InChIKeyCFZPXNGDXGXAOR-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
6-propan-2-yloxyhexylbenzene
CID 57124523
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
12-(3-propan-2-yloxypropoxy)dodecylbenzene
CID 170688779

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 17207061) is N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride is CC(C)OCCCNCCc1ccccc1.Cl.
What is the InChIKey of N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is CFZPXNGDXGXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-13(2)16-12-6-10-15-11-9-14-7-4-3-5-8-14;/h3-5,7-8,13,15H,6,9-12H2,1-2H3;1H.
What are the key properties of N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17207061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).