N-pentoxy-2-phenylethanamine

C13H21NO — CID 57075178

IUPACN-pentoxy-2-phenylethanamine
SMILESCCCCCONCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-12-15-14-11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyOPSYOLTYGDNSIY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds8

About N-pentoxy-2-phenylethanamine

N-pentoxy-2-phenylethanamine (PubChem CID 57075178) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-pentoxy-2-phenylethanamine.

Molecular Properties

Compound NameN-pentoxy-2-phenylethanamine
PubChem CID57075178
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-pentoxy-2-phenylethanamine
SMILESCCCCCONCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-12-15-14-11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyOPSYOLTYGDNSIY-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxyethylbenzene
CID 3022447
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
N-(2-phenylethyl)undecan-1-amine
CID 141108004
10-butoxydecylbenzene
CID 151496754
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of N-pentoxy-2-phenylethanamine?
The IUPAC name of N-pentoxy-2-phenylethanamine (CID 57075178) is N-pentoxy-2-phenylethanamine.
What is the SMILES notation for N-pentoxy-2-phenylethanamine?
The canonical SMILES for N-pentoxy-2-phenylethanamine is CCCCCONCCc1ccccc1.
What is the InChIKey of N-pentoxy-2-phenylethanamine?
The InChIKey is OPSYOLTYGDNSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-7-12-15-14-11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3.
What are the key properties of N-pentoxy-2-phenylethanamine?
N-pentoxy-2-phenylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentoxy-2-phenylethanamine is sourced from PubChem (CID 57075178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).